UCSF

ZINC20146319

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 21 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.35 8.21 -110.28 3 4 2 40 298.471 5
Hi High (pH 8-9.5) 2.35 5.91 -41.63 2 4 1 38 297.463 5
Hi High (pH 8-9.5) 2.35 6.92 -36.12 2 4 1 35 297.463 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )